-ISIS-  04261722012D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.8625   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208   -0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -1.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -2.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208    2.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 12  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16  5  2  0  0  0  0
 17 15  2  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 13  8  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <ID> (STL503413)
STL503413

>  <Rotatable_Bonds> (STL503413)
0

>  <logP> (STL503413)
2.748

>  <PSA> (STL503413)
65.38

>  <H_Donors> (STL503413)
2

>  <H_Acceptors> (STL503413)
1

>  <Number_of_rings> (STL503413)
2

>  <Compound_Names> (STL503413)
1-(4-methoxyphenyl)-3-(3-methylphenyl)thiourea

>  <Mol_Weight> (STL503413)
272.37

>  <Mol_Formula> (STL503413)
C15H16N2OS

>  <Smiles> (STL503413)
COc1ccc(cc1)NC(=S)Nc1cccc(c1)C

$$$$